LG100754

Ligand id: 2814

Name: LG100754

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 46.53
Molecular weight 396.27
XLogP 8.49
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2E,4E,6Z)-3-methyl-7-(5,5,8,8-tetramethyl-3-propoxy-6, 7-dihydronaphthalen-2-yl)octa-2,4,6-trienoic acid
Synonyms
LG 100754 | LG754
Database Links
BindingDB Ligand 50052589
CAS Registry No. 180713-37-5 (source: Scifinder)
ChEMBL Ligand CHEMBL109581
PubChem CID 6442223
RCSB PDB Ligand 754
Search Google for chemical match using the InChIKey HNODNXQAYXJFMQ-LQUSFLDPSA-N
Search Google for chemicals with the same backbone HNODNXQAYXJFMQ
Search UniChem for chemical match using the InChIKey HNODNXQAYXJFMQ-LQUSFLDPSA-N
Search UniChem for chemicals with the same backbone HNODNXQAYXJFMQ